Subject: Problems with gamess

From: "Dr Hillary S. R. Gilson" <[email-masked]>
Date: Wed, 23 Aug 1995 11:53:38 -0400

Hi,

I am running gamess with the following control statement:

 $CONTROL ICHARG=-1 MULT=1 COORD=CART SCFTYP=RHF MPLEVL=2 RUNTYP=OPTIMIZE
UNITS=ANGS $END

the run fails with the following message:

 *** CHECK YOUR INPUT CHARGE AND MULTIPLICITY ***
 THERE ARE    19 ELECTRONS, WITH CHARGE ICHARG=  0
 BUT YOU SELECTED MULTIPLITY MULT=  1

Do you see the problem with the input statement?

Thanks

-- 
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Hillary S. Gilson                                Phone:  (301) 738-6106
Center for Advanced Research in Biotechnology    FAX:    (301) 738-6255
National Institute of Standards and Technology
9600 Gudelsky Drive
Rockville, MD  20850             e-mail: [email-masked]
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